3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid

C12H11NO5 — CID 136998037

IUPAC3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCCOc1cccc(O)c1-c1cc(C(=O)O)on1
InChIInChI=1S/C12H11NO5/c1-2-17-9-5-3-4-8(14)11(9)7-6-10(12(15)16)18-13-7/h3-6,14H,2H2,1H3,(H,15,16)
InChIKeyKDHARIAYPLRHTK-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.14
Rot. Bonds4

About 3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid

3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 136998037) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID136998037
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCCOc1cccc(O)c1-c1cc(C(=O)O)on1
InChIInChI=1S/C12H11NO5/c1-2-17-9-5-3-4-8(14)11(9)7-6-10(12(15)16)18-13-7/h3-6,14H,2H2,1H3,(H,15,16)
InChIKeyKDHARIAYPLRHTK-UHFFFAOYSA-N
XLogP2.14
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 136998037) is 3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid is CCOc1cccc(O)c1-c1cc(C(=O)O)on1.
What is the InChIKey of 3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is KDHARIAYPLRHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-2-17-9-5-3-4-8(14)11(9)7-6-10(12(15)16)18-13-7/h3-6,14H,2H2,1H3,(H,15,16).
What are the key properties of 3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid?
3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136998037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).